Compound Identification
SMILES
CC1=C(C(=O)C2=C(O1)C=C(OC(=O)C1=CC=CO1)C=C2)C1=C(F)C=CC=C1Cl
InChIKey
InChIKey=SEAPQXGKODRHCZ-UHFFFAOYSA-N
Formula
C21H12ClFO5
Mass
398.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Chromones Phenol esters Furoic acid esters Pyranones and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Chromone - Phenol ester - 1-benzopyran - Benzopyran - Furoic acid ester - Furoic acid or derivatives - Pyranone - Halobenzene - Chlorobenzene - Fluorobenzene - Monocyclic benzene moiety - Benzenoid - Pyran - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Furan - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organochloride - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors
Not available